cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone

C21H28N6O2 — CID 136548482

IUPACcyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCN1C(=O)C1CCCC1)N1CCC(Nc2ccc3nccn3n2)C1
InChIInChI=1S/C21H28N6O2/c28-20(15-4-1-2-5-15)26-11-3-6-17(26)21(29)25-12-9-16(14-25)23-18-7-8-19-22-10-13-27(19)24-18/h7-8,10,13,15-17H,1-6,9,11-12,14H2,(H,23,24)
InChIKeyFIFJGCCBUBHLLS-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.92
Rot. Bonds4

About cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone

cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone (PubChem CID 136548482) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
PubChem CID136548482
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Namecyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCN1C(=O)C1CCCC1)N1CCC(Nc2ccc3nccn3n2)C1
InChIInChI=1S/C21H28N6O2/c28-20(15-4-1-2-5-15)26-11-3-6-17(26)21(29)25-12-9-16(14-25)23-18-7-8-19-22-10-13-27(19)24-18/h7-8,10,13,15-17H,1-6,9,11-12,14H2,(H,23,24)
InChIKeyFIFJGCCBUBHLLS-UHFFFAOYSA-N
XLogP1.92
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone (CID 136548482) is cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone is O=C(C1CCCN1C(=O)C1CCCC1)N1CCC(Nc2ccc3nccn3n2)C1.
What is the InChIKey of cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone?
The InChIKey is FIFJGCCBUBHLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c28-20(15-4-1-2-5-15)26-11-3-6-17(26)21(29)25-12-9-16(14-25)23-18-7-8-19-22-10-13-27(19)24-18/h7-8,10,13,15-17H,1-6,9,11-12,14H2,(H,23,24).
What are the key properties of cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone?
cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone has a molecular weight of 396.50 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136548482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).